SCHEMBL5771955

SCHEMBL5771955

Cc1nc(N2CCCCC2)c2sc(C(C)(C)C)cc2[n+]1[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPY5R Q15761 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
CHRM4 P08173 4/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5776500 0.99 MEN1 (0.50) MEN1KMT2ANPY5RSMN1; SMN2KDM4E
SCHEMBL5773830 0.77 NPY5R (0.61) MEN1KMT2ANPY5RSMN1; SMN2KDM4E
SCHEMBL5775005 0.75 NPY5R (0.47) NPY5RSMN1; SMN2KDM4EMAPTNPC1
Hydrochloric Acid SCHEMBL5774152 0.74 NPY5R (0.46) NPY5RSMN1; SMN2KDM4EMAPTNPC1
SCHEMBL5772009 0.74 MEN1 (0.67) MEN1KMT2ANPY5RSMN1; SMN2
Hydrochloric Acid SCHEMBL5773195 0.73 MEN1 (0.65) MEN1KMT2ANPY5RSMN1; SMN2
SCHEMBL4652317 0.64 CTSK (0.39) SMN1; SMN2MAPTLMNA
SCHEMBL5778378 0.63 NPY5R (0.62) NPY5R
SCHEMBL4803387 0.62 CYP1A2 (0.38) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL6396959 0.62 CRHBP (0.47) KMT2ASMN1; SMN2KDM4ELMNANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP claimed